SCHEMBL3635728

SCHEMBL3635728

O=CCc1ccccc1Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 2/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
FABP4 P15090 2/20 0.42
CASP7 P55210 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
HSD17B10 Q99714 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5786956 0.86 PTGS2 (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6046931 0.81 MAPT (0.45) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL30729429 0.81 MAPT (0.45) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL6168362 0.81 TDP1 (0.47) MAPTTDP1MEN1KMT2ARECQL
SCHEMBL3635038 0.80 L3MBTL1 (0.50) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL3634805 0.80 L3MBTL1 (0.47) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL5321487 0.78 PTGS2 (0.44) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL29657744 0.78 MAPT (0.50) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL6029657 0.78 MAPT (0.50) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL10478839 0.77 MAPT (0.54) MAPTTDP1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed